Dear LAMMPS users,
When I run my equilibration case using the ReaxFF (fix reax/c), a warning message occurred saying “Warning: changed valency_cal to valency_boc for x”. I wonder what this warning message means and whether this warning message matters.
Thanks,
Kira
Hi Kira,
That is related to sanity checks during the reading of the force field file: valency_val should be equal to valency_boc for elements lighter than Ne.
In your case, this sanity check warns about element X, which is a dummy atom. This should not matter at all, unless you map one of your elements to X with “pair_coeff” command.
Best,
Ray
Dear Ray,
Thanks a lot! I did not map any element to X.
Regards,
Kira